N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine

C13H19BrFN3 — CID 114047966

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine
SMILESNCC1CCCCC1CNc1ncc(Br)cc1F
InChIInChI=1S/C13H19BrFN3/c14-11-5-12(15)13(18-8-11)17-7-10-4-2-1-3-9(10)6-16/h5,8-10H,1-4,6-7,16H2,(H,17,18)
InChIKeyLFSJBVKCOVSJDU-UHFFFAOYSA-N
MW316.22 g/mol
LogP3.16
Rot. Bonds4

About N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine

N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine (PubChem CID 114047966) has the molecular formula C13H19BrFN3 and a molecular weight of 316.22 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine
PubChem CID114047966
Molecular FormulaC13H19BrFN3
Molecular Weight316.22 g/mol
Exact Mass315.07
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine
SMILESNCC1CCCCC1CNc1ncc(Br)cc1F
InChIInChI=1S/C13H19BrFN3/c14-11-5-12(15)13(18-8-11)17-7-10-4-2-1-3-9(10)6-16/h5,8-10H,1-4,6-7,16H2,(H,17,18)
InChIKeyLFSJBVKCOVSJDU-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112675954
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106129928
N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
CID 112676581
5-bromo-N-cyclohexyl-3-fluoropyridin-2-amine
CID 104923658
5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 103584118
5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 104924301
2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79718302
5-bromo-N-cyclobutyl-3-fluoropyridin-2-amine
CID 104924229
5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine
CID 104923956
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
3,5-difluoro-N-[(2-methylcyclopentyl)methyl]pyridin-2-amine
CID 107419343

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine (CID 114047966) is N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine is NCC1CCCCC1CNc1ncc(Br)cc1F.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine?
The InChIKey is LFSJBVKCOVSJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3/c14-11-5-12(15)13(18-8-11)17-7-10-4-2-1-3-9(10)6-16/h5,8-10H,1-4,6-7,16H2,(H,17,18).
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine?
N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine has a molecular weight of 316.22 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine is sourced from PubChem (CID 114047966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).